5-tert-butyl-1-propylpyridin-2-one

C12H19NO — CID 59679435

IUPAC5-tert-butyl-1-propylpyridin-2-one
SMILESCCCn1cc(C(C)(C)C)ccc1=O
InChIInChI=1S/C12H19NO/c1-5-8-13-9-10(12(2,3)4)6-7-11(13)14/h6-7,9H,5,8H2,1-4H3
InChIKeyVPARAFVVOFFAFV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.56
Rot. Bonds2

About 5-tert-butyl-1-propylpyridin-2-one

5-tert-butyl-1-propylpyridin-2-one (PubChem CID 59679435) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-tert-butyl-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1-propylpyridin-2-one
PubChem CID59679435
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-tert-butyl-1-propylpyridin-2-one
SMILESCCCn1cc(C(C)(C)C)ccc1=O
InChIInChI=1S/C12H19NO/c1-5-8-13-9-10(12(2,3)4)6-7-11(13)14/h6-7,9H,5,8H2,1-4H3
InChIKeyVPARAFVVOFFAFV-UHFFFAOYSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-propylpyridin-2-one?
The IUPAC name of 5-tert-butyl-1-propylpyridin-2-one (CID 59679435) is 5-tert-butyl-1-propylpyridin-2-one.
What is the SMILES notation for 5-tert-butyl-1-propylpyridin-2-one?
The canonical SMILES for 5-tert-butyl-1-propylpyridin-2-one is CCCn1cc(C(C)(C)C)ccc1=O.
What is the InChIKey of 5-tert-butyl-1-propylpyridin-2-one?
The InChIKey is VPARAFVVOFFAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-8-13-9-10(12(2,3)4)6-7-11(13)14/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 5-tert-butyl-1-propylpyridin-2-one?
5-tert-butyl-1-propylpyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-propylpyridin-2-one is sourced from PubChem (CID 59679435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).